CID 57273971

Hetester pma

Structural Information

Molecular Formula

C₁₉H₃₈O₃

SMILES

CCCCCCCCCCCCCCOCC(C)OC(=O)C

InChI

InChI=1S/C19H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-18(2)22-19(3)20/h18H,4-17H2,1-3H3

InChIKey

PCRBTNZNEYJDCH-UHFFFAOYSA-N

Compound name

1-tetradecoxypropan-2-yl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 973
Patents: 314.2821 Da
Monoisotopic Mass: 7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	315.28938	183.9
[M+Na]+	337.27132	190.8
[M+NH4]+	332.31592	188.9
[M+K]+	353.24526	183.9
[M-H]-	313.27482	181.8
[M+Na-2H]-	335.25677	183.5
[M]+	314.28155	183.9
[M]-	314.28265	183.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe